subluteolide
TL;DR: subluteolide (CAS 55399-34-3) is a chemical compound with molecular formula C19H22O7 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4S,6aR,8S,9aS,9bS)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2R)-2-methyloxirane-2-carboxylate
Also Known As: subluteolide, Repin, [(3aR,4S,6aR,8S,9aS,9bS)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2R)-2-methyloxirane-2-carboxylate, (3aR,4S,6aR,8S,9aS,9bS)-8-hydroxy-3,6-dimethylidene-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2R)-2-methyloxirane-2-carboxylate, 8-Hydroxy-3,6-dimethylidene-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 2-methyloxirane-2-carboxylate
| Molecular Formula | C19H22O7 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.13657 |
| Heavy Atoms | 26 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 55399-34-3 |
|---|---|
| SMILES | C[C@@]1(CO1)C(=O)O[C@H]2CC(=C)[C@@H]3C[C@@H](C4([C@@H]3[C@@H]5[C@@H]2C(=C)C(=O)O5)CO4)O |
| InChIKey | HQZJODBJOBTCPI-YQZZNOBUSA-N |
Product Overview
subluteolide (CAS 55399-34-3), with molecular formula C19H22O7 and molecular weight 362.14 g/mol. IUPAC: [(3aR,4S,6aR,8S,9aS,9bS)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2R)-2-methyloxirane-2-carboxylate.
Chemical Property Profile of subluteolide
Property Insights of subluteolide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for subluteolide. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for subluteolide. Following Lipinski's Rule of Five, subluteolide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of subluteolide?
The CAS number of subluteolide is 55399-34-3.
What is the molecular formula of subluteolide?
The molecular formula of subluteolide is C19H22O7.
What is the molecular weight of subluteolide?
The molecular weight of subluteolide is 362.14 g/mol.
Where can I buy subluteolide?
You can request a quote for subluteolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for subluteolide?
Yes, KEHONG BIO provides custom synthesis services for subluteolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.